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832099-13-5 | Thiourea, [1-(4-phenoxyphenyl)cyclohexyl]-
CAS No: 832099-13-5 Catalog No: AG004UZW MDL No:
Product Description
Catalog Number:
AG004UZW
Chemical Name:
Thiourea, [1-(4-phenoxyphenyl)cyclohexyl]-
CAS Number:
832099-13-5
Molecular Formula:
C19H22N2OS
Molecular Weight:
326.4558
IUPAC Name:
[1-(4-phenoxyphenyl)cyclohexyl]thiourea
InChI:
InChI=1S/C19H22N2OS/c20-18(23)21-19(13-5-2-6-14-19)15-9-11-17(12-10-15)22-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2,(H3,20,21,23)
InChI Key:
SUWUUNGXVXLQSK-UHFFFAOYSA-N
SMILES:
NC(=S)NC1(CCCCC1)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.145g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.458g/mol
Monoisotopic Mass:
326.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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